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feat(process): add ProcessContext and ProcessBuilder classes
Implemented all recommended improvements for process simulation: 1. ProcessContext class: - Context manager for explicit process management - Each context has its own ProcessSystem - Supports multiple independent processes - Methods: stream, separator, compressor, pump, valve, heater, cooler, etc. 2. ProcessBuilder class: - Fluent/chainable API for building processes - Equipment referenced by name (string) - Great for configuration-driven design - Methods: add_stream, add_separator, add_compressor, etc. 3. Updated wrapper functions with process= parameter: - stream, separator, separator3phase, valve - compressor, pump, expander - heater, cooler, heatExchanger - mixer, splitter 4. Added _add_to_process helper function 5. New example: processApproaches.py demonstrating all three approaches Backwards compatible - existing code using global process still works.
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‎examples/processApproaches.py‎

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# -*- coding: utf-8 -*-
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"""
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Process Simulation Approaches in NeqSim Python
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This example demonstrates the three ways to build process simulations
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in NeqSim Python:
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1. Python Wrappers with Global Process - Simple, good for notebooks
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2. ProcessContext - Explicit process management with context manager
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3. ProcessBuilder - Fluent/chainable API for building processes
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Each approach has its advantages depending on your use case.
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@author: NeqSim Team
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"""
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from neqsim.thermo import fluid
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from neqsim.process import (
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# Wrapper functions (Approach 1)
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clearProcess,
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runProcess,
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stream,
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separator,
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compressor,
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cooler,
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valve,
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# New classes (Approaches 2 & 3)
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ProcessContext,
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ProcessBuilder,
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newProcess,
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)
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print("=" * 70)
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print("NEQSIM PYTHON: THREE APPROACHES TO PROCESS SIMULATION")
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print("=" * 70)
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# =============================================================================
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# APPROACH 1: Python Wrappers with Global Process
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# =============================================================================
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# Best for: Quick prototyping, Jupyter notebooks, learning
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# Pros: Simple, concise, automatic process management
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# Cons: Global state, one process at a time
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print("\n" + "-" * 70)
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print("APPROACH 1: Python Wrappers (Global Process)")
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print("-" * 70)
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# Create fluid for the process
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feed_fluid = fluid("srk")
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feed_fluid.addComponent("nitrogen", 1.0)
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feed_fluid.addComponent("methane", 85.0)
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feed_fluid.addComponent("ethane", 8.0)
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feed_fluid.addComponent("propane", 4.0)
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feed_fluid.addComponent("n-butane", 2.0)
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feed_fluid.setMixingRule("classic")
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feed_fluid.setTemperature(30.0, "C")
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feed_fluid.setPressure(30.0, "bara")
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feed_fluid.setTotalFlowRate(5.0, "MSm3/day")
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# Clear any previous process and build new one
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clearProcess()
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# Equipment is automatically added to global process
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inlet = stream("inlet", feed_fluid)
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sep1 = separator("HP separator", inlet)
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comp1 = compressor("1st stage", sep1.getGasOutStream(), pres=60.0)
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cool1 = cooler("intercooler", comp1.getOutletStream())
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cool1.setOutTemperature(303.15) # 30°C
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comp2 = compressor("2nd stage", cool1.getOutletStream(), pres=120.0)
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# Run the simulation
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runProcess()
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print(f"\nResults (Approach 1):")
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print(f" Stage 1 power: {comp1.getPower()/1e6:.3f} MW")
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print(f" Stage 2 power: {comp2.getPower()/1e6:.3f} MW")
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print(f" Total power: {(comp1.getPower() + comp2.getPower())/1e6:.3f} MW")
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# =============================================================================
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# APPROACH 2: ProcessContext (Explicit Process Management)
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# =============================================================================
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# Best for: Production code, multiple processes, clean resource management
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# Pros: Explicit control, supports multiple processes, context manager
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# Cons: Slightly more verbose
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print("\n" + "-" * 70)
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print("APPROACH 2: ProcessContext (Explicit Process)")
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print("-" * 70)
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# Create fresh fluid
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feed_fluid2 = fluid("srk")
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feed_fluid2.addComponent("nitrogen", 1.0)
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feed_fluid2.addComponent("methane", 85.0)
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feed_fluid2.addComponent("ethane", 8.0)
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feed_fluid2.addComponent("propane", 4.0)
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feed_fluid2.addComponent("n-butane", 2.0)
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feed_fluid2.setMixingRule("classic")
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feed_fluid2.setTemperature(30.0, "C")
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feed_fluid2.setPressure(30.0, "bara")
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feed_fluid2.setTotalFlowRate(5.0, "MSm3/day")
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# Use ProcessContext - each context has its own process
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with ProcessContext("Compression Train") as ctx:
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# Methods mirror the wrapper functions
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inlet = ctx.stream("inlet", feed_fluid2)
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sep = ctx.separator("HP separator", inlet)
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comp1 = ctx.compressor("1st stage", sep.getGasOutStream(), pres=60.0)
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cool = ctx.cooler("intercooler", comp1.getOutletStream(), temp=303.15)
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comp2 = ctx.compressor("2nd stage", cool.getOutletStream(), pres=120.0)
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# Run this specific process
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ctx.run()
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# Access equipment by name
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stage1 = ctx.get("1st stage")
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stage2 = ctx.get("2nd stage")
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print(f"\nResults (Approach 2):")
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print(f" Stage 1 power: {stage1.getPower()/1e6:.3f} MW")
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print(f" Stage 2 power: {stage2.getPower()/1e6:.3f} MW")
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print(f" Total power: {(stage1.getPower() + stage2.getPower())/1e6:.3f} MW")
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# =============================================================================
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# APPROACH 3: ProcessBuilder (Fluent/Chainable API)
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# =============================================================================
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# Best for: Configuration-driven design, clean declarative style
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# Pros: Chainable, equipment referenced by name, very readable
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# Cons: Less direct access during construction
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print("\n" + "-" * 70)
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print("APPROACH 3: ProcessBuilder (Fluent API)")
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print("-" * 70)
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# Create fresh fluid
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feed_fluid3 = fluid("srk")
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feed_fluid3.addComponent("nitrogen", 1.0)
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feed_fluid3.addComponent("methane", 85.0)
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feed_fluid3.addComponent("ethane", 8.0)
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feed_fluid3.addComponent("propane", 4.0)
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feed_fluid3.addComponent("n-butane", 2.0)
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feed_fluid3.setMixingRule("classic")
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feed_fluid3.setTemperature(30.0, "C")
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feed_fluid3.setPressure(30.0, "bara")
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feed_fluid3.setTotalFlowRate(5.0, "MSm3/day")
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# Build process with fluent API - all chained together
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process = (ProcessBuilder("Compression Train")
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.add_stream("inlet", feed_fluid3)
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.add_separator("HP separator", "inlet")
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.add_compressor("1st stage", "HP separator", pressure=60.0)
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.add_cooler("intercooler", "1st stage", temperature=303.15)
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.add_compressor("2nd stage", "intercooler", pressure=120.0)
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.run())
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# Access results
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comp1 = process.get("1st stage")
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comp2 = process.get("2nd stage")
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print(f"\nResults (Approach 3):")
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print(f" Stage 1 power: {comp1.getPower()/1e6:.3f} MW")
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print(f" Stage 2 power: {comp2.getPower()/1e6:.3f} MW")
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print(f" Total power: {(comp1.getPower() + comp2.getPower())/1e6:.3f} MW")
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# =============================================================================
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# HYBRID APPROACH: Wrappers with Explicit Process
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# =============================================================================
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# You can also use wrapper functions with an explicit process parameter
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print("\n" + "-" * 70)
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print("HYBRID: Wrapper Functions with process= Parameter")
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print("-" * 70)
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# Create fresh fluid
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feed_fluid4 = fluid("srk")
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feed_fluid4.addComponent("nitrogen", 1.0)
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feed_fluid4.addComponent("methane", 85.0)
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feed_fluid4.addComponent("ethane", 8.0)
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feed_fluid4.addComponent("propane", 4.0)
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feed_fluid4.addComponent("n-butane", 2.0)
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feed_fluid4.setMixingRule("classic")
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feed_fluid4.setTemperature(30.0, "C")
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feed_fluid4.setPressure(30.0, "bara")
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feed_fluid4.setTotalFlowRate(5.0, "MSm3/day")
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# Create explicit process
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my_process = newProcess("Compression Train")
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# Use wrapper functions but specify process explicitly
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inlet = stream("inlet", feed_fluid4, process=my_process)
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sep = separator("HP separator", inlet, process=my_process)
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comp1 = compressor("1st stage", sep.getGasOutStream(), pres=60.0, process=my_process)
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cool = cooler("intercooler", comp1.getOutletStream(), process=my_process)
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cool.setOutTemperature(303.15)
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comp2 = compressor("2nd stage", cool.getOutletStream(), pres=120.0, process=my_process)
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# Run specific process
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my_process.run()
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print(f"\nResults (Hybrid):")
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print(f" Stage 1 power: {comp1.getPower()/1e6:.3f} MW")
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print(f" Stage 2 power: {comp2.getPower()/1e6:.3f} MW")
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print(f" Total power: {(comp1.getPower() + comp2.getPower())/1e6:.3f} MW")
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# =============================================================================
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# COMPARISON SUMMARY
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# =============================================================================
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print("\n" + "=" * 70)
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print("CHOOSING AN APPROACH")
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print("=" * 70)
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print("""
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| Use Case | Recommended Approach |
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|---------------------------------|-------------------------------|
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| Learning / tutorials | Wrappers (global process) |
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| Jupyter notebooks | Wrappers (global process) |
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| Quick prototyping | Wrappers (global process) |
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| Production applications | ProcessContext or ProcessBuilder |
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| Multiple parallel processes | ProcessContext |
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| Configuration-driven design | ProcessBuilder |
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| Clean declarative style | ProcessBuilder |
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| Mixing wrapper convenience | Hybrid (process= parameter) |
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with explicit control | |
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""")

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